NeurIPS 2017 Papers

Low-rank approximation is a common tool used to accelerate kernel methods: the $n \times n$ kernel matrix $K$ is approximated via a rank-$k$ matrix $\tilde K$ which can be stored in much less space and processed more quickly. In this work we study the limits of computationally efficient low-rank kernel approximation. We show that for a broad class of kernels, including the popular Gaussian and polynomial kernels, computing a relative error $k$-rank approximation to $K$ is at least as difficult as multiplying the input data matrix $A \in R^{n \times d}$ by an arbitrary matrix $C \in R^{d \times k}$. Barring a breakthrough in fast matrix multiplication, when $k$ is not too large, this requires $\Omega(nnz(A)k)$ time where $nnz(A)$ is the number of non-zeros in $A$. This lower bound matches, in many parameter regimes, recent work on subquadratic time algorithms for low-rank approximation of general kernels [MM16,MW17], demonstrating that these algorithms are unlikely to be significantly improved, in particular to $O(nnz(A))$ input sparsity runtimes. At the same time there is hope: we show for the first time that $O(nnz(A))$ time approximation is possible for general radial basis function kernels (e.g., the Gaussian kernel) for the closely related problem of low-rank approximation of the kernelized dataset.

This paper considers a number of related inverse filtering problems for hidden Markov models (HMMs). In particular, given a sequence of state posteriors and the system dynamics; i) estimate the corresponding sequence of observations, ii) estimate the observation likelihoods, and iii) jointly estimate the observation likelihoods and the observation sequence. We show how to avoid a computationally expensive mixed integer linear program (MILP) by exploiting the algebraic structure of the HMM filter using simple linear algebra operations, and provide conditions for when the quantities can be uniquely reconstructed. We also propose a solution to the more general case where the posteriors are noisily observed. Finally, the proposed inverse filtering algorithms are evaluated on real-world polysomnographic data used for automatic sleep segmentation.

In this paper, we study deep signal representations that are near-invariant to groups of transformations and stable to the action of diffeomorphisms without losing signal information. This is achieved by generalizing the multilayer kernel introduced in the context of convolutional kernel networks and by studying the geometry of the corresponding reproducing kernel Hilbert space. We show that the signal representation is stable, and that models from this functional space, such as a large class of convolutional neural networks, may enjoy the same stability.

We propose introspective convolutional networks (ICN) that emphasize the importance of having convolutional neural networks empowered with generative capabilities. We employ a reclassification-by-synthesis algorithm to perform training using a formulation stemmed from the Bayes theory. Our ICN tries to iteratively: (1) synthesize pseudo-negative samples; and (2) enhance itself by improving the classification. The single CNN classifier learned is at the same time generative --- being able to directly synthesize new samples within its own discriminative model. We conduct experiments on benchmark datasets including MNIST, CIFAR-10, and SVHN using state-of-the-art CNN architectures, and observe improved classification results.

Off-policy model-free deep reinforcement learning methods using previously collected data can improve sample efficiency over on-policy policy gradient techniques. On the other hand, on-policy algorithms are often more stable and easier to use. This paper examines, both theoretically and empirically, approaches to merging on- and off-policy updates for deep reinforcement learning. Theoretical results show that off-policy updates with a value function estimator can be interpolated with on-policy policy gradient updates whilst still satisfying performance bounds. Our analysis uses control variate methods to produce a family of policy gradient algorithms, with several recently proposed algorithms being special cases of this family. We then provide an empirical comparison of these techniques with the remaining algorithmic details fixed, and show how different mixing of off-policy gradient estimates with on-policy samples contribute to improvements in empirical performance. The final algorithm provides a generalization and unification of existing deep policy gradient techniques, has theoretical guarantees on the bias introduced by off-policy updates, and improves on the state-of-the-art model-free deep RL methods on a number of OpenAI Gym continuous control benchmarks.

In many machine learning applications, submodular functions have been used as a model for evaluating the utility or payoff of a set such as news items to recommend, sensors to deploy in a terrain, nodes to influence in a social network, to name a few. At the heart of all these applications is the assumption that the underlying utility/payoff function is known a priori, hence maximizing it is in principle possible. In real life situations, however, the utility function is not fully known in advance and can only be estimated via interactions. For instance, whether a user likes a movie or not can be reliably evaluated only after it was shown to her. Or, the range of influence of a user in a social network can be estimated only after she is selected to advertise the product. We model such problems as an interactive submodular bandit optimization, where in each round we receive a context (e.g., previously selected movies) and have to choose an action (e.g., propose a new movie). We then receive a noisy feedback about the utility of the action (e.g., ratings) which we model as a submodular function over the context-action space. We develop SM-UCB that efficiently trades off exploration (collecting more data) and exploration (proposing a good action given gathered data) and achieves a $O(\sqrt{T})$ regret bound after $T$ rounds of interaction. Given a bounded-RKHS norm kernel over the context-action-payoff space that governs the smoothness of the utility function, SM-UCB keeps an upper-confidence bound on the payoff function that allows it to asymptotically achieve no-regret. Finally, we evaluate our results on four concrete applications, including movie recommendation (on the MovieLense data set), news recommendation (on Yahoo! Webscope dataset), interactive influence maximization (on a subset of the Facebook network), and personalized data summarization (on Reuters Corpus). In all these applications, we observe that SM-UCB consistently outperforms the prior art.

We show that accelerated optimization methods can be seen as particular instances of multi-step integration schemes from numerical analysis, applied to the gradient flow equation. Compared with recent advances in this vein, the differential equation considered here is the basic gradient flow, and we derive a class of multi-step schemes which includes accelerated algorithms, using classical conditions from numerical analysis. Multi-step schemes integrate the differential equation using larger step sizes, which intuitively explains the acceleration phenomenon.

Hypergraph partitioning is an important problem in machine learning, computer vision and network analytics. A widely used method for hypergraph partitioning relies on minimizing a normalized sum of the costs of partitioning hyperedges across clusters. Algorithmic solutions based on this approach assume that different partitions of a hyperedge incur the same cost. However, this assumption fails to leverage the fact that different subsets of vertices within the same hyperedge may have different structural importance. We hence propose a new hypergraph clustering technique, termed inhomogeneous hypergraph partitioning, which assigns different costs to different hyperedge cuts. We prove that inhomogeneous partitioning produces a quadratic approximation to the optimal solution if the inhomogeneous costs satisfy submodularity constraints. Moreover, we demonstrate that inhomogenous partitioning offers significant performance improvements in applications such as structure learning of rankings, subspace segmentation and motif clustering.

Markov random fields are a popular model for high-dimensional probability distributions. Over the years, many mathematical, statistical and algorithmic problems on them have been studied. Until recently, the only known algorithms for provably learning them relied on exhaustive search, correlation decay or various incoherence assumptions. Bresler gave an algorithm for learning general Ising models on bounded degree graphs. His approach was based on a structural result about mutual information in Ising models. Here we take a more conceptual approach to proving lower bounds on the mutual information. Our proof generalizes well beyond Ising models, to arbitrary Markov random fields with higher order interactions. As an application, we obtain algorithms for learning Markov random fields on bounded degree graphs on $n$ nodes with $r$-order interactions in $n^r$ time and $\log n$ sample complexity. Our algorithms also extend to various partial observation models.

The goal of imitation learning is to mimic expert behavior without access to an explicit reward signal. Expert demonstrations provided by humans, however, often show significant variability due to latent factors that are typically not explicitly modeled. In this paper, we propose a new algorithm that can infer the latent structure of expert demonstrations in an unsupervised way. Our method, built on top of Generative Adversarial Imitation Learning, can not only imitate complex behaviors, but also learn interpretable and meaningful representations of complex behavioral data, including visual demonstrations. In the driving domain, we show that a model learned from human demonstrations is able to both accurately reproduce a variety of behaviors and accurately anticipate human actions using raw visual inputs. Compared with various baselines, our method can better capture the latent structure underlying expert demonstrations, often recovering semantically meaningful factors of variation in the data.

Influence maximization is the problem of selecting $k$ nodes in a social network to maximize their influence spread. The problem has been extensively studied but most works focus on the submodular influence diffusion models. In this paper, motivated by empirical evidences, we explore influence maximization in the non-submodular regime. In particular, we study the general threshold model in which a fraction of nodes have non-submodular threshold functions, but their threshold functions are closely upper- and lower-bounded by some submodular functions (we call them $\varepsilon$-almost submodular). We first show a strong hardness result: there is no $1/n^{\gamma/c}$ approximation for influence maximization (unless P = NP) for all networks with up to $n^{\gamma}$ $\varepsilon$-almost submodular nodes, where $\gamma$ is in (0,1) and $c$ is a parameter depending on $\varepsilon$. This indicates that influence maximization is still hard to approximate even though threshold functions are close to submodular. We then provide $(1-\varepsilon)^{\ell}(1-1/e)$ approximation algorithms when the number of $\varepsilon$-almost submodular nodes is $\ell$. Finally, we conduct experiments on a number of real-world datasets, and the results demonstrate that our approximation algorithms outperform other baseline algorithms.

Obtaining enough labeled data to robustly train complex discriminative models is a major bottleneck in the machine learning pipeline. A popular solution is combining multiple sources of weak supervision using generative models. The structure of these models affects the quality of the training labels, but is difficult to learn without any ground truth labels. We instead rely on weak supervision sources having some structure by virtue of being encoded programmatically. We present Coral, a paradigm that infers generative model structure by statically analyzing the code for these heuristics, thus significantly reducing the amount of data required to learn structure. We prove that Coral's sample complexity scales quasilinearly with the number of heuristics and number of relations identified, improving over the standard sample complexity, which is exponential in n for learning n-th degree relations. Empirically, Coral matches or outperforms traditional structure learning approaches by up to 3.81 F1 points. Using Coral to model dependencies instead of assuming independence results in better performance than a fully supervised model by 3.07 accuracy points when heuristics are used to label radiology data without ground truth labels.

Maximum A posteriori Probability (MAP) inference in graphical models amounts to solving a graph-structured combinatorial optimization problem. Popular inference algorithms such as belief propagation (BP) and generalized belief propagation (GBP) are intimately related to linear programming (LP) relaxation within the Sherali-Adams hierarchy. Despite the popularity of these algorithms, it is well understood that the Sum-of-Squares (SOS) hierarchy based on semidefinite programming (SDP) can provide superior guarantees. Unfortunately, SOS relaxations for a graph with $n$ vertices require solving an SDP with $n^{\Theta(d)}$ variables where $d$ is the degree in the hierarchy. In practice, for $d\ge 4$, this approach does not scale beyond a few tens of variables. In this paper, we propose binary SDP relaxations for MAP inference using the SOS hierarchy with two innovations focused on computational efficiency. Firstly, in analogy to BP and its variants, we only introduce decision variables corresponding to contiguous regions in the graphical model. Secondly, we solve the resulting SDP using a non-convex Burer-Monteiro style method, and develop a sequential rounding procedure. We demonstrate that the resulting algorithm can solve problems with tens of thousands of variables within minutes, and outperforms BP and GBP on practical problems such as image denoising and Ising spin glasses. Finally, for specific graph types, we establish a sufficient condition for the tightness of the proposed partial SOS relaxation.

Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions.

The independence clustering problem is considered in the following formulation: given a set $S$ of random variables, it is required to find the finest partitioning $\{U_1,\dots,U_k\}$ of $S$ into clusters such that the clusters $U_1,\dots,U_k$ are mutually independent. Since mutual independence is the target, pairwise similarity measurements are of no use, and thus traditional clustering algorithms are inapplicable. The distribution of the random variables in $S$ is, in general, unknown, but a sample is available. Thus, the problem is cast in terms of time series. Two forms of sampling are considered: i.i.d.\ and stationary time series, with the main emphasis being on the latter, more general, case. A consistent, computationally tractable algorithm for each of the settings is proposed, and a number of fascinating open directions for further research are outlined.

Computer vision tasks often have side information available that is helpful to solve the task. For example, for crowd counting, the camera perspective (e.g., camera angle and height) gives a clue about the appearance and scale of people in the scene. While side information has been shown to be useful for counting systems using traditional hand-crafted features, it has not been fully utilized in counting systems based on deep learning. In order to incorporate the available side information, we propose an adaptive convolutional neural network (ACNN), where the convolution filter weights adapt to the current scene context via the side information. In particular, we model the filter weights as a low-dimensional manifold within the high-dimensional space of filter weights. The filter weights are generated using a learned ``filter manifold'' sub-network, whose input is the side information. With the help of side information and adaptive weights, the ACNN can disentangle the variations related to the side information, and extract discriminative features related to the current context (e.g. camera perspective, noise level, blur kernel parameters). We demonstrate the effectiveness of ACNN incorporating side information on 3 tasks: crowd counting, corrupted digit recognition, and image deblurring. Our experiments show that ACNN improves the performance compared to a plain CNN with a similar number of parameters. Since existing crowd counting datasets do not contain ground-truth side information, we collect a new dataset with the ground-truth camera angle and height as the side information.

The expected improvement (EI) algorithm is a popular strategy for information collection in optimization under uncertainty. The algorithm is widely known to be too greedy, but nevertheless enjoys wide use due to its simplicity and ability to handle uncertainty and noise in a coherent decision theoretic framework. To provide rigorous insight into EI, we study its properties in a simple setting of Bayesian optimization where the domain consists of a finite grid of points. This is the so-called best-arm identification problem, where the goal is to allocate measurement effort wisely to confidently identify the best arm using a small number of measurements. In this framework, one can show formally that EI is far from optimal. To overcome this shortcoming, we introduce a simple modification of the expected improvement algorithm. Surprisingly, this simple change results in an algorithm that is asymptotically optimal for Gaussian best-arm identification problems, and provably outperforms standard EI by an order of magnitude.

We study combinatorial multi-armed bandit with probabilistically triggered arms (CMAB-T) and semi-bandit feedback. We resolve a serious issue in the prior CMAB-T studies where the regret bounds contain a possibly exponentially large factor of 1/p

Generative Adversarial Networks (GANs) are powerful generative models, but suffer from training instability. The recently proposed Wasserstein GAN (WGAN) makes progress toward stable training of GANs, but sometimes can still generate only poor samples or fail to converge. We find that these problems are often due to the use of weight clipping in WGAN to enforce a Lipschitz constraint on the critic, which can lead to undesired behavior. We propose an alternative to clipping weights: penalize the norm of gradient of the critic with respect to its input. Our proposed method performs better than standard WGAN and enables stable training of a wide variety of GAN architectures with almost no hyperparameter tuning, including 101-layer ResNets and language models with continuous generators. We also achieve high quality generations on CIFAR-10 and LSUN bedrooms.